SCHEMBL24433364

SCHEMBL24433364

NC(N)=NCCCC[C@@H]1NC(=O)CCSSCCNC(=O)[C@@H]2CCCN2C(=O)C(c2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.71
▸ ITGAV P06756 15/20 0.71
▸ ITGA2B P08514 5/20 0.71
▸ ITGA5 P08648 7/20 0.48
▸ ITGB1 P05556 5/20 0.48
▸ MC5R P33032 2/20 0.48
▸ MC3R P41968 2/20 0.48
▸ MC4R P32245 1/20 0.48
▸ ITGB5 P18084 5/20 0.47
▸ LDLR P01130 1/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16883930 0.92 ITGB3 (0.84) ITGB3ITGAVITGA2BITGA5ITGB1
SCHEMBL16883928 0.92 ITGB3 (0.84) ITGB3ITGAVITGA2BITGA5ITGB1
SCHEMBL24433360 0.86 ITGAV (0.60) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL29353236 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL22193879 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL16884017 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL43237 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL1649793 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL16883987 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1
Eptifibatide SCHEMBL18504808 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGA5ITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153812-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION 2022-05-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220153812-A1 INTEGRIN ANTAGONISTS ITGB3, ITGA2B, ITGB1 ITGB3 1/4885ITGAV 8/4885ITGA2B 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback